2-(3-ethenoxypropyl)-2-ethylthiolane

C11H20OS — CID 176604161

IUPAC2-(3-ethenoxypropyl)-2-ethylthiolane
SMILESC=COCCCC1(CC)CCCS1
InChIInChI=1S/C11H20OS/c1-3-11(8-6-10-13-11)7-5-9-12-4-2/h4H,2-3,5-10H2,1H3
InChIKeyPACFDFVSLMMRDS-UHFFFAOYSA-N
MW200.35 g/mol
LogP3.60
Rot. Bonds6

About 2-(3-ethenoxypropyl)-2-ethylthiolane

2-(3-ethenoxypropyl)-2-ethylthiolane (PubChem CID 176604161) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is 2-(3-ethenoxypropyl)-2-ethylthiolane.

Molecular Properties

Compound Name2-(3-ethenoxypropyl)-2-ethylthiolane
PubChem CID176604161
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name2-(3-ethenoxypropyl)-2-ethylthiolane
SMILESC=COCCCC1(CC)CCCS1
InChIInChI=1S/C11H20OS/c1-3-11(8-6-10-13-11)7-5-9-12-4-2/h4H,2-3,5-10H2,1H3
InChIKeyPACFDFVSLMMRDS-UHFFFAOYSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-Methoxypropyl)-3-methylthiolane
CID 91446382
2-(3-Ethenoxypropyl)-2-ethylthiolane 1-oxide
CID 176603096
2-(Ethenoxymethyl)-2-ethylthiane
CID 176603135
2-(Ethenoxymethyl)-2-ethylthiepane
CID 176603142
2-(2-Ethenoxyethyl)-2-methylthiolane
CID 176603234
2-(2-Ethenoxyethyl)-2-methylthiepane
CID 176603524
2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]thiolane
CID 176603535
2-(3-Ethenoxypropyl)-2-ethylthiolane 1,1-dioxide
CID 176603566
2-(Ethenoxymethyl)-2-ethylthiolane 1-oxide
CID 176603638
2-(Ethenoxymethyl)-2-ethylthiolane
CID 176603785
2-(Ethenoxymethyl)-2-methylthiocane
CID 176603885
2-(3-Ethenoxypropyl)thiolane
CID 176603903

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethenoxypropyl)-2-ethylthiolane?
The IUPAC name of 2-(3-ethenoxypropyl)-2-ethylthiolane (CID 176604161) is 2-(3-ethenoxypropyl)-2-ethylthiolane.
What is the SMILES notation for 2-(3-ethenoxypropyl)-2-ethylthiolane?
The canonical SMILES for 2-(3-ethenoxypropyl)-2-ethylthiolane is C=COCCCC1(CC)CCCS1.
What is the InChIKey of 2-(3-ethenoxypropyl)-2-ethylthiolane?
The InChIKey is PACFDFVSLMMRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OS/c1-3-11(8-6-10-13-11)7-5-9-12-4-2/h4H,2-3,5-10H2,1H3.
What are the key properties of 2-(3-ethenoxypropyl)-2-ethylthiolane?
2-(3-ethenoxypropyl)-2-ethylthiolane has a molecular weight of 200.35 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethenoxypropyl)-2-ethylthiolane is sourced from PubChem (CID 176604161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).